2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide

C10H14F3N3O2S — CID 112674964

IUPAC2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide
SMILESCN(CCC(F)(F)F)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-5-10(11,12)13)7-3-2-4-8(9(7)14)19(15,17)18/h2-4H,5-6,14H2,1H3,(H2,15,17,18)
InChIKeyKMLGJOQYBAWBOT-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide

2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide (PubChem CID 112674964) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide
PubChem CID112674964
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide
SMILESCN(CCC(F)(F)F)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-5-10(11,12)13)7-3-2-4-8(9(7)14)19(15,17)18/h2-4H,5-6,14H2,1H3,(H2,15,17,18)
InChIKeyKMLGJOQYBAWBOT-UHFFFAOYSA-N
XLogP1.30
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
CID 115992611
2-N-methyl-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115514269
2-amino-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 115992574
3-fluoro-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849634
2-amino-3-(N-ethyl-4-fluoroanilino)benzenesulfonamide
CID 115992626
2-amino-3-[2-cyanoethyl(propan-2-yl)amino]benzenesulfonamide
CID 112674800
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
CID 115992583
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
CID 115992518

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide (CID 112674964) is 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide is CN(CCC(F)(F)F)c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide?
The InChIKey is KMLGJOQYBAWBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-16(6-5-10(11,12)13)7-3-2-4-8(9(7)14)19(15,17)18/h2-4H,5-6,14H2,1H3,(H2,15,17,18).
What are the key properties of 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide?
2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide is sourced from PubChem (CID 112674964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).